Thionine acetate

CAS Registry Number®

78338-22-4

CAS Name

Thionine acetate

Molecular Formula

C12H10N3S.C2H3O2

Cite this Page

Thionine acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78338-22-4 (retrieved 2024-11-22) (CAS RN: 78338-22-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H10N3S.C2H4O2/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;1-2(3)4/h1-6H,13-14H2;1H3,(H,3,4)/q+1;/p-1

InChIKey

InChIKey=OWXBIRAFHWASMS-UHFFFAOYSA-M

SMILES

NC1=CC2=C(N=C3C(=[S+]2)C=C(N)C=C3)C=C1.C(C)([O-])=O

Canonical SMILES

O=C([O-])C.N=1C2=CC=C(N)C=C2[S+]=C3C=C(N)C=CC13

Other Names for this Substance

  • Phenothiazin-5-ium, 3,7-diamino-, acetate (1:1)
  • Phenothiazin-5-ium, 3,7-diamino-, acetate
  • 3,7-Diaminophenothiazin-5-ium acetate
  • Thionine acetate
  • Thionin acetate

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Deleted or Replaced CAS Registry Numbers

132803-05-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration